SCHEMBL7004604

SCHEMBL7004604

Fc1ccccc1-c1cc(=S)c2cc3c(cc2[nH]1)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
MTOR P42345 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31061623 0.84 NPC1 (1.00) NPC1MTOR
SCHEMBL338729 0.84 NPC1 (1.00) NPC1MTOR
SCHEMBL29532115 0.84 NPC1 (1.00) NPC1MTOR
SCHEMBL22476146 0.78 ALDH1A1 (0.48) NPC1MTOR
SCHEMBL339249 0.68 NPC1 (0.65) NPC1MTOR
SCHEMBL338691 0.68 NPC1 (0.71) NPC1MTOR
SCHEMBL339136 0.66 NPC1 (0.68) NPC1MTOR
SCHEMBL9709367 0.65 NPC1 (0.54) NPC1MTOR
SCHEMBL25282379 0.64 NPC1 (0.67) NPC1MTOR
SCHEMBL29411871 0.64 NPC1 (0.67) NPC1MTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322615-A2 FLUORINATED QUINOLONES AS ANTIMITOTIC AND ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-07-02 EP disclosed
US-6569870-B1 Anticarcinogenic agents for breast and ovarian cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-05-27 US disclosed
WO-2002026730-A2 FLUORINATED QUINOLONES AS ANTIMITOTIC AND ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-04-04 WO disclosed